Cycloocta[b]thiophene-2-carboxylicacid, 4,5,6,7,8,9-hexahydro-


Chemical Name: Cycloocta[b]thiophene-2-carboxylicacid, 4,5,6,7,8,9-hexahydro-
CAS Number: 40133-09-3
Product Number: AG00CWZA(AGN-PC-0LO26D)
Synonyms:
MDL No:
Molecular Formula: C11H14O2S
Molecular Weight: 210.2927

Identification/Properties


Computed Properties
Molecular Weight:
210.291g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
210.071g/mol
Monoisotopic Mass:
210.071g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
217
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



4,5,6,7,8,9-Hexahydrocycloocta[b]thiophene-2-carboxylic acid is a versatile compound widely utilized in chemical synthesis as a key building block for various organic reactions. This compound plays a crucial role in the preparation of heterocyclic compounds, pharmaceutical intermediates, and functional materials.In organic synthesis, 4,5,6,7,8,9-Hexahydrocycloocta[b]thiophene-2-carboxylic acid serves as a precursor for the construction of complex molecular structures due to its unique structural features. It can participate in ring-closure reactions, functional group transformations, and cross-coupling reactions to facilitate the formation of diverse chemical entities.Moreover, this compound is frequently employed in the synthesis of bioactive molecules such as pharmaceuticals, agrochemicals, and natural products. Its strategic incorporation in the molecular design enables access to new compounds with enhanced biological activities and improved pharmacological properties.Overall, the application of 4,5,6,7,8,9-Hexahydrocycloocta[b]thiophene-2-carboxylic acid in chemical synthesis underscores its significance as a valuable tool for constructing intricate organic frameworks and advancing the field of organic chemistry.